2RI0
Crystal Structure of glucosamine 6-phosphate deaminase (NagB) from S. mutans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97564 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.000, 82.170, 134.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.130 - 1.600 |
| R-factor | 0.178 |
| Rwork | 0.177 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.455 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.130 | 1.600 | |
| High resolution limit [Å] | 1.500 | 15.000 | 1.500 |
| Rmerge | 0.069 | 0.051 | |
| Number of reflections | 76798 | 99 | |
| <I/σ(I)> | 18.32 | 24.6 | |
| Completeness [%] | 79.3 | 72.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 0.2M ammonium sulfate, 0.1M bis-Tris pH 5.5, 25%(w/v) PEG 3350, vapor diffusion, hanging drop, temperature 289K |
